4-(1,3-Benzothiazol-2-yl)-2-ethoxyphenol

Base Information

• Chemical Name: 4-(1,3-Benzothiazol-2-yl)-2-ethoxyphenol
• CAS No.: 6265-95-8
• Molecular Formula: C15H13 N O2 S
• Molecular Weight: 271.34
• NSC Number: 33164
• DSSTox Substance ID: DTXSID40417936
• Wikidata: Q82228182
• ChEMBL ID: CHEMBL1596464
• Mol file: 6265-95-8.mol

Synonyms:NSC33164;4-(1,3-benzothiazol-2-yl)-2-ethoxyphenol;NIOSH/SJ7361000;Phenol, 4-(2-benzothiazolyl)-2-ethoxy-;SJ73610000;2-(4'-Hydroxy-3'-ethoxyphenyl)benzothiazole;6265-95-8;Oprea1_041024;MLS000693815;CHEMBL1596464;SCHEMBL12470532;DTXSID40417936;HMS2761I11;ARK100934;NSC-33164;STK201381;AKOS000408462;SMR000299788;LS-103994;SR-01000270100;SR-01000270100-1

Chemical Property of 4-(1,3-Benzothiazol-2-yl)-2-ethoxyphenol

Chemical Property:

• Vapor Pressure: 1.74E-06mmHg at 25°C
• Boiling Point: 396.2°C at 760 mmHg
• Flash Point: 193.4°C
• Density: 1.32g/cm³
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 271.06669983
• Heavy Atom Count: 19
• Complexity: 302

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)O

Technology Process of 4-(1,3-Benzothiazol-2-yl)-2-ethoxyphenol

There total 2 articles about 4-(1,3-Benzothiazol-2-yl)-2-ethoxyphenol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 36.2%

4-hydroxy-3-ethoxybenzaldehyde (121-32-4) + 2-amino-benzenethiol (137-07-5) → 4-(benzo[d]thiazol-2-yl)-2-ethoxyphenol (6265-95-8)

Guidance literature:

In methanol; at 20 ℃; for 20h; Inert atmosphere;

DOI:10.1016/j.bmcl.2011.02.064

Reference yield: 36.2%

→ 4-(benzo[d]thiazol-2-yl)-2-ethoxyphenol (6265-95-8)

Guidance literature:

In methanol; at 20 ℃; for 22h;

upstream raw materials:

4-hydroxy-3-ethoxybenzaldehyde

2-amino-benzenethiol